3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide CAS Name: 3-phenyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-phenyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-1H-pyrazole-5-carboxamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c27-22(21-14-20(24-25-21)17-8-2-1-3-9-17)23-15-18-10-4-5-11-19(18)16-26-12-6-7-13-26/h1-5,8-11,14H,6-7,12-13,15-16H2,(H,23,27)(H,24,25)/p+1